U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C32H47FN6O4S
Molecular Weight 630.817
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Revumenib

SMILES

CCN(C(C)C)C(=O)C1=C(OC2=CN=CN=C2N3CC4(C3)CCN(C[C@H]5CC[C@@H](CC5)NS(=O)(=O)CC)CC4)C=CC(F)=C1

InChI

InChIKey=FRVSRBKUQZKTOW-YOCNBXQISA-N
InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3/t24-,26-

HIDE SMILES / InChI

Molecular Formula C32H47FN6O4S
Molecular Weight 630.817
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:51:29 UTC 2023
Edited
by admin
on Sat Dec 16 18:51:29 UTC 2023
Record UNII
LZ0M43NNF2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Revumenib
INN  
Official Name English
SNDX-5613 FREE BASE
Code English
REVUMENIB [USAN]
Common Name English
SNDX-50613 FREE BASE
Code English
SNDX50613 FREE BASE
Code English
Benzamide, N-ethyl-2-[[4-[7-[[trans-4-[(ethylsulfonyl)amino]cyclohexyl]methyl]-2,7-diazaspiro[3.5]non-2-yl]-5-pyrimidinyl]oxy]-5-fluoro-N-(1-methylethyl)-
Systematic Name English
revumenib [INN]
Common Name English
2-{[4-(7-{[trans-4-(ethanesulfonamido)cyclohexyl]methyl}-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxy}-N-ethyl-5-fluoro-N-(propan-2-yl)benzamide
Systematic Name English
SNDX5613 FREE BASE
Code English
Code System Code Type Description
INN
11657
Created by admin on Sat Dec 16 18:51:29 UTC 2023 , Edited by admin on Sat Dec 16 18:51:29 UTC 2023
PRIMARY
NCI_THESAURUS
C165776
Created by admin on Sat Dec 16 18:51:29 UTC 2023 , Edited by admin on Sat Dec 16 18:51:29 UTC 2023
PRIMARY
FDA UNII
LZ0M43NNF2
Created by admin on Sat Dec 16 18:51:29 UTC 2023 , Edited by admin on Sat Dec 16 18:51:29 UTC 2023
PRIMARY
SMS_ID
300000039865
Created by admin on Sat Dec 16 18:51:29 UTC 2023 , Edited by admin on Sat Dec 16 18:51:29 UTC 2023
PRIMARY
CAS
2169919-21-3
Created by admin on Sat Dec 16 18:51:29 UTC 2023 , Edited by admin on Sat Dec 16 18:51:29 UTC 2023
PRIMARY
USAN
LM-175
Created by admin on Sat Dec 16 18:51:29 UTC 2023 , Edited by admin on Sat Dec 16 18:51:29 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
INHIBITS MENIN BINDING TO MLL1.
IC50
TARGET -> INHIBITOR
BINDS TO TJE MLL1 BINDING POCKET
Ki
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY